4-(oxetan-3-yl)piperidine

• ChemBase ID: 795907
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C1(CCNCC1)C1COC1
• Canonical SMILES: N1CCC(CC1)C1COC1
• InChI: InChI=1S/C8H15NO/c1-3-9-4-2-7(1)8-5-10-6-8/h7-9H,1-6H2
• InChIKey: PBZBCRMJQYVTLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(oxetan-3-yl)piperidine
• IUPAC Traditional name: 4-(oxetan-3-yl)piperidine
• Synonyms: 4-(Oxetan-3-yl)piperidine

Database IDs

• CAS Number: 1257294-01-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1476116
• LogD (pH = 7.4): -2.6906135
• Log P: 0.08395132
• Molar Refractivity: 40.7051 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%